Project name: uuu

Chain sequence(s)	A: KKVVLGKKGDTVELTCTASQKKSIQFHWKNSNQIKILGNQGSFLTKGPSKLNDRADSRRSLWDQGNFPLIIKNLKIEDSDTYICEVEDQKEEVQLLVFGLTANSDTHLLQGQSLTLTLESPPGSSPSVQCRSPRGKNIQGGKTLSVSQLELQDSGTWTCTVLQNQKKVEFKIDIVVLA
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:33)

• Minimal score value: -3.6857
• Maximal score value: 1.8254
• Average score: -1.2628
• Total score value: -224.7771

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	K	A	-2.6441
2	K	A	-2.2041
3	V	A	-1.7776
4	V	A	-1.1643
5	L	A	0.0000
6	G	A	0.0000
7	K	A	-2.4277
8	K	A	-3.5981
9	G	A	-3.0582
10	D	A	-3.3741
11	T	A	-2.4566
12	V	A	-1.5650
13	E	A	-1.8764
14	L	A	0.0000
15	T	A	-0.8183
16	C	A	0.0000
17	T	A	-0.6319
18	A	A	-2.0008
19	S	A	-1.6999
20	Q	A	-2.7739
21	K	A	-3.2881
22	K	A	-3.6857
23	S	A	-2.8662
24	I	A	-2.0455
25	Q	A	-2.1001
26	F	A	0.0000
27	H	A	-1.3778
28	W	A	0.0000
29	K	A	-1.3819
30	N	A	-1.4290
31	S	A	-1.5958
32	N	A	-1.8669
33	Q	A	-1.6560
34	I	A	-0.3932
35	K	A	-1.1718
36	I	A	0.0000
37	L	A	0.0000
38	G	A	0.0000
39	N	A	-0.8968
40	Q	A	-1.1544
41	G	A	-0.8247
42	S	A	-0.1906
43	F	A	1.0509
44	L	A	-0.1573
45	T	A	-0.4891
46	K	A	-1.3688
47	G	A	-0.9977
48	P	A	-1.1367
49	S	A	-1.4167
50	K	A	-2.2202
51	L	A	0.0000
52	N	A	-2.0623
53	D	A	-2.6339
54	R	A	-2.1291
55	A	A	0.0000
56	D	A	-1.7745
57	S	A	0.0000
58	R	A	-2.5140
59	R	A	-2.7124
60	S	A	-2.0359
61	L	A	-1.9851
62	W	A	-2.3323
63	D	A	-3.3566
64	Q	A	-3.0162
65	G	A	0.0000
66	N	A	-1.5248
67	F	A	0.0000
68	P	A	0.0000
69	L	A	0.0000
70	I	A	0.0000
71	I	A	0.0000
72	K	A	-2.8513
73	N	A	-3.0270
74	L	A	0.0000
75	K	A	-2.4429
76	I	A	-1.7121
77	E	A	-1.4280
78	D	A	0.0000
79	S	A	0.0000
80	D	A	-1.0643
81	T	A	-1.3591
82	Y	A	0.0000
83	I	A	-1.9726
84	C	A	0.0000
85	E	A	-3.0301
86	V	A	0.0000
87	E	A	-3.2375
88	D	A	-3.5432
89	Q	A	-3.3724
90	K	A	-3.6636
91	E	A	-2.9062
92	E	A	-3.2030
93	V	A	0.0000
94	Q	A	-1.4975
95	L	A	0.0000
96	L	A	0.0000
97	V	A	0.0000
98	F	A	0.0000
99	G	A	0.0000
100	L	A	-1.3699
101	T	A	-1.0987
102	A	A	-1.5725
103	N	A	-1.9359
104	S	A	-1.8296
105	D	A	-2.4199
106	T	A	-1.8461
107	H	A	-1.1327
108	L	A	0.3797
109	L	A	1.3600
110	Q	A	-0.0210
111	G	A	-1.0813
112	Q	A	-1.7704
113	S	A	-1.0266
114	L	A	0.0000
115	T	A	-0.8542
116	L	A	0.0000
117	T	A	-1.4630
118	L	A	0.0000
119	E	A	-2.4159
120	S	A	-1.6372
121	P	A	0.0000
122	P	A	-0.7720
123	G	A	-0.7352
124	S	A	-0.8160
125	S	A	-1.0086
126	P	A	0.0000
127	S	A	-0.6222
128	V	A	0.0000
129	Q	A	-1.4247
130	C	A	0.0000
131	R	A	-3.2703
132	S	A	0.0000
133	P	A	-2.1686
134	R	A	-3.3947
135	G	A	-2.6781
136	K	A	-3.2165
137	N	A	-2.7644
138	I	A	-1.3033
139	Q	A	-1.7995
140	G	A	-1.4099
141	G	A	0.0000
142	K	A	-2.3973
143	T	A	-1.4966
144	L	A	-0.8697
145	S	A	-0.5965
146	V	A	-0.4021
147	S	A	-1.2150
148	Q	A	-1.9864
149	L	A	0.0000
150	E	A	-2.0187
151	L	A	0.2244
152	Q	A	-1.3707
153	D	A	0.0000
154	S	A	-0.2664
155	G	A	-1.2040
156	T	A	-1.5959
157	W	A	0.0000
158	T	A	-1.9351
159	C	A	0.0000
160	T	A	-1.1937
161	V	A	0.0000
162	L	A	-1.0449
163	Q	A	-1.4937
164	N	A	-2.5437
165	Q	A	-2.5504
166	K	A	-2.5904
167	K	A	-2.3736
168	V	A	-1.4110
169	E	A	-1.7028
170	F	A	-1.3588
171	K	A	-2.3257
172	I	A	-1.5664
173	D	A	-2.1599
174	I	A	0.0000
175	V	A	0.1178
176	V	A	0.0000
177	L	A	1.8254
178	A	A	0.9629